CAS RN: 14510-07-7

4-Quinolinecarboxaldehyde, 8-hydroxy-

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  • Product code: starshine_CAS14510-07-7
  • Purity/Analytical Methods: >99.0%
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14510-07-7 / 8-hydroxyquinoline-4-carbaldehyde

Standard CAS: 14510-07-7 Multi CAS: No

Basic Information

CAS
14510-07-7
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
SMILES
C1=CC2=C(C=CN=C2C(=C1)O)C=O
InChI
InChI=1S/C10H7NO2/c12-6-7-4-5-11-10-8(7)2-1-3-9(10)13/h1-6,13H
InChIKey
PYOVEJVKZRJJQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.8
TPSA
50.19

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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